SCHEMBL21939976

SCHEMBL21939976

CCn1c2ccc(SC)cc2c2cc(N(c3ccc(OC)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(OC)cc5)c5ccc6c(c5)c5cc(SC)ccc5n6CC)ccc3-4)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 4/20 0.38
NPSR1 Q6W5P4 4/20 0.37
POLB P06746 2/20 0.37
PTGER4 P35408 1/20 0.36
MAPT P10636 8/20 0.36
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRIK1 P39086 2/20 0.34
KMT2A Q03164 4/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 3/20 0.33
HCRTR1 O43613 2/20 0.33
MEN1 O00255 2/20 0.33
PAX8 Q06710 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24022269 0.92 PTGER4 (0.36) GRIK2NPSR1POLBPTGER4MAPT
SCHEMBL21939980 0.91 METAP2 (0.34) GRIK2NPSR1POLBPTGER4MAPT
SCHEMBL24022102 0.87 GRIK2 (0.38) GRIK2NPSR1POLBPTGER4MAPT
SCHEMBL21940567 0.85 PTGER4 (0.34) GRIK2NPSR1PTGER4MAPTKDM4E
SCHEMBL21939982 0.85 GRIK2 (0.36) GRIK2NPSR1POLBPTGER4MAPT
SCHEMBL21939867 0.83 PTGER4 (0.45) GRIK2NPSR1POLBPTGER4MAPT
SCHEMBL24022286 0.82 MAPT (0.45) GRIK2NPSR1POLBPTGER4MAPT
SCHEMBL24022136 0.81 GRIK2 (0.34) GRIK2NPSR1POLBPTGER4MAPT
SCHEMBL21940553 0.81 GRIK2 (0.34) GRIK2NPSR1POLBPTGER4MAPT
SCHEMBL21031614 0.81 OPRM1 (0.42) MAPTKDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200119206-A1 PEROVSKITE SOLAR CELL KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-04-16 US disclosed